2-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-ethoxyphenyl)pyridazin-3-one

C26H30N6O3 — CID 122281443

About 2-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-ethoxyphenyl)pyridazin-3-one

2-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-ethoxyphenyl)pyridazin-3-one (PubChem CID 122281443) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 2-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-ethoxyphenyl)pyridazin-3-one.

Molecular Properties

• Compound Name: 2-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-ethoxyphenyl)pyridazin-3-one
• PubChem CID: 122281443
• Molecular Formula: C26H30N6O3
• Molecular Weight: 474.57 g/mol
• Exact Mass: 474.24
• IUPAC Name: 2-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-ethoxyphenyl)pyridazin-3-one
• SMILES: CCOc1ccc(-c2ccc(=O)n(C(C)C(=O)N3CCN(c4cc5c(nn4)CCC5)CC3)n2)cc1
• InChI: InChI=1S/C26H30N6O3/c1-3-35-21-9-7-19(8-10-21)23-11-12-25(33)32(29-23)18(2)26(34)31-15-13-30(14-16-31)24-17-20-5-4-6-22(20)27-28-24/h7-12,17-18H,3-6,13-16H2,1-2H3
• InChIKey: YDSRGPYHLXCKPA-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 93.45 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.57
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-ethoxyphenyl)pyridazin-3-one?

The IUPAC name of 2-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-ethoxyphenyl)pyridazin-3-one (CID 122281443) is 2-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-ethoxyphenyl)pyridazin-3-one.

What is the SMILES notation for 2-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-ethoxyphenyl)pyridazin-3-one?

The canonical SMILES for 2-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-ethoxyphenyl)pyridazin-3-one is CCOc1ccc(-c2ccc(=O)n(C(C)C(=O)N3CCN(c4cc5c(nn4)CCC5)CC3)n2)cc1.

What is the InChIKey of 2-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-ethoxyphenyl)pyridazin-3-one?

The InChIKey is YDSRGPYHLXCKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-3-35-21-9-7-19(8-10-21)23-11-12-25(33)32(29-23)18(2)26(34)31-15-13-30(14-16-31)24-17-20-5-4-6-22(20)27-28-24/h7-12,17-18H,3-6,13-16H2,1-2H3.

What are the key properties of 2-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-ethoxyphenyl)pyridazin-3-one?

2-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-ethoxyphenyl)pyridazin-3-one has a molecular weight of 474.57 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-ethoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 122281443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).